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CHEBI:224401 - De-12-N-methyl-thaxtomin A

ChEBI IDCHEBI:224401
ChEBI NameDe-12-N-methyl-thaxtomin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20N4O6
Net Charge0
Average Mass424.413
Monoisotopic Mass424.13828
SMILESCN1C(=O)[C@H](Cc2cnc3cccc([N+](=O)[O-])c23)NC(=O)[C@]1(O)Cc1cccc(O)c1
InChIInChI=1S/C21H20N4O6/c1-24-19(27)16(9-13-11-22-15-6-3-7-17(18(13)15)25(30)31)23-20(28)21(24,29)10-12-4-2-5-14(26)8-12/h2-8,11,16,22,26,29H,9-10H2,1H3,(H,23,28)/t16-,21+/m0/s1
InChIKeySQRZSSRGQBFFGK-HRAATJIYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces scabiei (ncbitaxon:1930) - DOI (10.1021/jf950243o)
ChEBI Ontology
Outgoing Relation(s)
De-12-N-methyl-thaxtomin A (CHEBI:224401) has functional parent α-amino acid (CHEBI:33704)
De-12-N-methyl-thaxtomin A (CHEBI:224401) is a organonitrogen compound (CHEBI:35352)
De-12-N-methyl-thaxtomin A (CHEBI:224401) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6R)-6-hydroxy-6-[(3-hydroxyphenyl)methyl]-1-methyl-3-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione
Manual XrefsDatabases
8940102ChemSpider